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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:16:06 UTC

Update Date

2022-03-07 02:56:42 UTC

HMDB ID

HMDB0040693

Secondary Accession Numbers

HMDB40693

Metabolite Identification

Common Name

N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine

Description

N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine has been detected, but not quantified in, a few different foods, such as common mushrooms (Agaricus bisporus), mushrooms, and oyster mushrooms (Pleurotus ostreatus). This could make N2-(gamma-glutamyl)-4-carboxyphenylhydrazine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0040693
     RDKit          3D
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine
 35 35  0  0  0  0  0  0  0  0999 V2000
   -3.9021    0.5150    1.6919 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1627    0.1614    0.3068 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6763   -1.2405    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2195   -1.3357    0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3872   -0.4989   -0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8385    0.1621   -1.4897 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0335   -0.4718   -0.2286 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552    0.2962   -1.0277 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2665    0.4042   -0.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9262   -0.2332    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2724   -0.0960    0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0173    0.6810   -0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4644    0.8281   -0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1021    1.5651   -1.1278 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1355    0.1854    0.6916 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3600    1.3327   -1.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0025    1.2069   -1.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6307    0.1809    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500    0.4797    0.9387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0388   -0.1376   -1.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5854    1.4900    1.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7256    0.3145    2.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345    0.8491   -0.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8422   -1.5484   -0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2322   -1.9210    0.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8616   -2.4030    0.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0686   -1.0499    1.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134   -1.0148    0.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4371    0.8277   -1.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3730   -0.8717    0.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7624   -0.6266    1.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1214   -0.8349    0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8947    1.9713   -2.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809    1.7272   -2.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6624   -0.8944   -1.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 12 16  1  0
 16 17  2  0
  2 18  1  0
 18 19  2  0
 18 20  1  0
 17  9  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  6
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
  8 29  1  0
 10 30  1  0
 11 31  1  0
 15 32  1  0
 16 33  1  0
 17 34  1  0
 20 35  1  0
M  END


  Mrv1652311231722352D          

 20 20  0  0  0  0            999 V2000
 2514.6457 2513.1041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2513.9276 2513.5196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2513.2136 2513.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2512.4997 2513.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2511.7857 2513.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2511.0717 2513.5196    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2510.3578 2513.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2509.6438 2513.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2510.3578 2512.2818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2511.0717 2514.3438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2513.2136 2512.2818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2517.5015 2514.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2518.2154 2514.3418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2517.5015 2515.5775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2516.7928 2514.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2516.0744 2514.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2515.3558 2514.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2515.3558 2513.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2516.0743 2513.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2516.7928 2513.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 15 12  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040693

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CCC(=O)NNC1=CC=C(C=C1)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H15N3O5/c13-9(12(19)20)5-6-10(16)15-14-8-3-1-7(2-4-8)11(17)18/h1-4,9,14H,5-6,13H2,(H,15,16)(H,17,18)(H,19,20)/t9-/m0/s1

> <INCHI_KEY>
GCENCHHONAGMNP-VIFPVBQESA-N

> <FORMULA>
C12H15N3O5

> <MOLECULAR_WEIGHT>
281.2646

> <EXACT_MASS>
281.101170605

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
27.422164092969144

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[(4S)-4-amino-4-carboxybutanehydrazido]benzoic acid

> <ALOGPS_LOGP>
-2.30

> <JCHEM_LOGP>
-2.271993856073782

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.640463042377192

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7874976435426149

> <JCHEM_PKA_STRONGEST_BASIC>
9.311924273235174

> <JCHEM_POLAR_SURFACE_AREA>
141.75

> <JCHEM_REFRACTIVITY>
70.04670000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.09e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[(4S)-4-amino-4-carboxybutanehydrazido]benzoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040693
     RDKit          3D
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine
 35 35  0  0  0  0  0  0  0  0999 V2000
   -3.9021    0.5150    1.6919 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1627    0.1614    0.3068 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6763   -1.2405    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2195   -1.3357    0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3872   -0.4989   -0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8385    0.1621   -1.4897 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0335   -0.4718   -0.2286 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552    0.2962   -1.0277 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2665    0.4042   -0.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9262   -0.2332    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2724   -0.0960    0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0173    0.6810   -0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4644    0.8281   -0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1021    1.5651   -1.1278 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1355    0.1854    0.6916 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3600    1.3327   -1.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0025    1.2069   -1.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6307    0.1809    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500    0.4797    0.9387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0388   -0.1376   -1.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5854    1.4900    1.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7256    0.3145    2.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345    0.8491   -0.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8422   -1.5484   -0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2322   -1.9210    0.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8616   -2.4030    0.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0686   -1.0499    1.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134   -1.0148    0.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4371    0.8277   -1.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3730   -0.8717    0.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7624   -0.6266    1.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1214   -0.8349    0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8947    1.9713   -2.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809    1.7272   -2.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6624   -0.8944   -1.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 12 16  1  0
 16 17  2  0
  2 18  1  0
 18 19  2  0
 18 20  1  0
 17  9  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  6
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
  8 29  1  0
 10 30  1  0
 11 31  1  0
 15 32  1  0
 16 33  1  0
 17 34  1  0
 20 35  1  0
M  END

HEADER    PROTEIN                                 23-NOV-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-NOV-17         0                                  
HETATM    1  N   UNK     0    4694.0054691.128   0.000  0.00  0.00           N+0
HETATM    2  N   UNK     0    4692.6654691.903   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4691.3324691.132   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    4689.9994691.903   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    4688.6674691.132   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4687.3344691.903   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    4686.0014691.132   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0    4684.6684691.903   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    4686.0014689.593   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0    4687.3344693.442   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0    4691.3324689.593   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    4699.3364694.206   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0    4700.6694693.438   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    4699.3364695.745   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0    4698.0134693.442   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    4696.6724694.217   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    4695.3314693.442   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    4695.3314691.894   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    4696.6724691.119   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    4698.0134691.894   0.000  0.00  0.00           C+0
CONECT    1    2   18                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    6                                                            
CONECT   11    3                                                            
CONECT   12   13   14   15                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   16   20   12                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19    1                                                  
CONECT   19   18   20                                                       
CONECT   20   19   15                                                       
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

COMPND    HMDB0040693
HETATM    1  N1  UNL     1      -3.902   0.515   1.692  1.00  0.00           N  
HETATM    2  C1  UNL     1      -4.163   0.161   0.307  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.676  -1.240   0.080  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.219  -1.336   0.357  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.387  -0.499  -0.529  1.00  0.00           C  
HETATM    6  O1  UNL     1      -1.838   0.162  -1.490  1.00  0.00           O  
HETATM    7  N2  UNL     1       0.034  -0.472  -0.229  1.00  0.00           N  
HETATM    8  N3  UNL     1       0.855   0.296  -1.028  1.00  0.00           N  
HETATM    9  C5  UNL     1       2.266   0.404  -0.815  1.00  0.00           C  
HETATM   10  C6  UNL     1       2.926  -0.233   0.186  1.00  0.00           C  
HETATM   11  C7  UNL     1       4.272  -0.096   0.343  1.00  0.00           C  
HETATM   12  C8  UNL     1       5.017   0.681  -0.489  1.00  0.00           C  
HETATM   13  C9  UNL     1       6.464   0.828  -0.320  1.00  0.00           C  
HETATM   14  O2  UNL     1       7.102   1.565  -1.128  1.00  0.00           O  
HETATM   15  O3  UNL     1       7.136   0.185   0.692  1.00  0.00           O  
HETATM   16  C10 UNL     1       4.360   1.333  -1.509  1.00  0.00           C  
HETATM   17  C11 UNL     1       3.002   1.207  -1.684  1.00  0.00           C  
HETATM   18  C12 UNL     1      -5.631   0.181   0.027  1.00  0.00           C  
HETATM   19  O4  UNL     1      -6.450   0.480   0.939  1.00  0.00           O  
HETATM   20  O5  UNL     1      -6.039  -0.138  -1.253  1.00  0.00           O  
HETATM   21  H1  UNL     1      -3.585   1.490   1.729  1.00  0.00           H  
HETATM   22  H2  UNL     1      -4.726   0.315   2.308  1.00  0.00           H  
HETATM   23  H3  UNL     1      -3.634   0.849  -0.344  1.00  0.00           H  
HETATM   24  H4  UNL     1      -3.842  -1.548  -0.976  1.00  0.00           H  
HETATM   25  H5  UNL     1      -4.232  -1.921   0.765  1.00  0.00           H  
HETATM   26  H6  UNL     1      -1.862  -2.403   0.323  1.00  0.00           H  
HETATM   27  H7  UNL     1      -2.069  -1.050   1.442  1.00  0.00           H  
HETATM   28  H8  UNL     1       0.413  -1.015   0.563  1.00  0.00           H  
HETATM   29  H9  UNL     1       0.437   0.828  -1.828  1.00  0.00           H  
HETATM   30  H10 UNL     1       2.373  -0.872   0.885  1.00  0.00           H  
HETATM   31  H11 UNL     1       4.762  -0.627   1.162  1.00  0.00           H  
HETATM   32  H12 UNL     1       7.121  -0.835   0.733  1.00  0.00           H  
HETATM   33  H13 UNL     1       4.895   1.971  -2.213  1.00  0.00           H  
HETATM   34  H14 UNL     1       2.481   1.727  -2.497  1.00  0.00           H  
HETATM   35  H15 UNL     1      -6.662  -0.894  -1.488  1.00  0.00           H  
CONECT    1    2   21   22
CONECT    2    3   18   23
CONECT    3    4   24   25
CONECT    4    5   26   27
CONECT    5    6    6    7
CONECT    7    8   28
CONECT    8    9   29
CONECT    9   10   10   17
CONECT   10   11   30
CONECT   11   12   12   31
CONECT   12   13   16
CONECT   13   14   14   15
CONECT   15   32
CONECT   16   17   17   33
CONECT   17   34
CONECT   18   19   19   20
CONECT   20   35
END

HMDB0040693
     RDKit          3D
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine
 35 35  0  0  0  0  0  0  0  0999 V2000
   -3.9021    0.5150    1.6919 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1627    0.1614    0.3068 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6763   -1.2405    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2195   -1.3357    0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3872   -0.4989   -0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8385    0.1621   -1.4897 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0335   -0.4718   -0.2286 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552    0.2962   -1.0277 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2665    0.4042   -0.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9262   -0.2332    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2724   -0.0960    0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0173    0.6810   -0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4644    0.8281   -0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1021    1.5651   -1.1278 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1355    0.1854    0.6916 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3600    1.3327   -1.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0025    1.2069   -1.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6307    0.1809    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500    0.4797    0.9387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0388   -0.1376   -1.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5854    1.4900    1.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7256    0.3145    2.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345    0.8491   -0.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8422   -1.5484   -0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2322   -1.9210    0.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8616   -2.4030    0.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0686   -1.0499    1.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134   -1.0148    0.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4371    0.8277   -1.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3730   -0.8717    0.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7624   -0.6266    1.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1214   -0.8349    0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8947    1.9713   -2.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809    1.7272   -2.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6624   -0.8944   -1.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 12 16  1  0
 16 17  2  0
  2 18  1  0
 18 19  2  0
 18 20  1  0
 17  9  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  6
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
  8 29  1  0
 10 30  1  0
 11 31  1  0
 15 32  1  0
 16 33  1  0
 17 34  1  0
 20 35  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
N2-(g-Glutamyl)-4-carboxyphenylhydrazine	Generator
N2-(Γ-glutamyl)-4-carboxyphenylhydrazine	Generator
4-({[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}amino)benzoate	Generator

Chemical Formula

C₁₂H₁₅N₃O₅

Average Molecular Weight

281.2646

Monoisotopic Molecular Weight

281.101170605

IUPAC Name

4-[(4S)-4-amino-4-carboxybutanehydrazido]benzoic acid

Traditional Name

4-[(4S)-4-amino-4-carboxybutanehydrazido]benzoic acid

CAS Registry Number

69644-85-5

SMILES

N[C@@H](CCC(=O)NNC1=CC=C(C=C1)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C12H15N3O5/c13-9(12(19)20)5-6-10(16)15-14-8-3-1-7(2-4-8)11(17)18/h1-4,9,14H,5-6,13H2,(H,15,16)(H,17,18)(H,19,20)/t9-/m0/s1

InChI Key

GCENCHHONAGMNP-VIFPVBQESA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Glutamine and derivatives

Alternative Parents

Substituents

Glutamine or derivatives
Alpha-amino acid
L-alpha-amino acid
Benzoic acid or derivatives
Benzoic acid
Benzoyl
Phenylhydrazine
Monocyclic benzene moiety
Benzenoid
Dicarboxylic acid or derivatives
Amino acid
Carboxylic acid hydrazide
Carboxylic acid
Organic nitrogen compound
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Primary amine
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Amine
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0040693)
Cytoplasm (HMDB: HMDB0040693)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0040693)

Source

Exogenous

Food

Food (HMDB: HMDB0040693)

Plant (HMDB: HMDB0040693)

Not Available

Nutrient (HMDB: HMDB0040693)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	175 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.71 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-2.3	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	1.79	ChemAxon
pKa (Strongest Basic)	9.31	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	141.75 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	70.05 m³·mol⁻¹	ChemAxon
Polarizability	27.42 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	165.137	30932474
DeepCCS	[M-H]-	162.779	30932474
DeepCCS	[M-2H]-	195.665	30932474
DeepCCS	[M+Na]+	171.23	30932474
AllCCS	[M+H]+	162.3	32859911
AllCCS	[M+H-H2O]+	159.2	32859911
AllCCS	[M+NH4]+	165.2	32859911
AllCCS	[M+Na]+	166.0	32859911
AllCCS	[M-H]-	163.7	32859911
AllCCS	[M+Na-2H]-	163.8	32859911
AllCCS	[M+HCOO]-	164.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine	N[C@@H](CCC(=O)NNC1=CC=C(C=C1)C(O)=O)C(O)=O	4238.0	Standard polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine	N[C@@H](CCC(=O)NNC1=CC=C(C=C1)C(O)=O)C(O)=O	2654.3	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine	N[C@@H](CCC(=O)NNC1=CC=C(C=C1)C(O)=O)C(O)=O	3164.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,1TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C(NNC(=O)CC[C@H](N)C(=O)O)C=C1	3018.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)NNC1=CC=C(C(=O)O)C=C1	3021.1	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)NNC1=CC=C(C(=O)O)C=C1)C(=O)O	3106.5	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,1TMS,isomer #4	C[Si](C)(C)N(NC1=CC=C(C(=O)O)C=C1)C(=O)CC[C@H](N)C(=O)O	3012.8	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,1TMS,isomer #5	C[Si](C)(C)N(NC(=O)CC[C@H](N)C(=O)O)C1=CC=C(C(=O)O)C=C1	3013.0	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C(NNC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C=C1	3013.6	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)NN(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)C(=O)O	3075.1	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TMS,isomer #11	C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C	2900.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)NNC1=CC=C(C(=O)O[Si](C)(C)C)C=C1)C(=O)O	3083.5	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C1=CC=C(N(NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)C=C1	2958.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TMS,isomer #4	C[Si](C)(C)OC(=O)C1=CC=C(NN(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)C=C1	2922.7	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=O)NNC1=CC=C(C(=O)O)C=C1)C(=O)O[Si](C)(C)C	3093.3	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N(NC1=CC=C(C(=O)O)C=C1)[Si](C)(C)C	2942.7	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)NN(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C	2956.3	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TMS,isomer #8	C[Si](C)(C)N([C@@H](CCC(=O)NNC1=CC=C(C(=O)O)C=C1)C(=O)O)[Si](C)(C)C	3209.9	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC(=O)N(NC1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)C(=O)O	3046.8	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)NNC1=CC=C(C(=O)O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	3024.9	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)NNC1=CC=C(C(=O)O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	2833.2	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)NN(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2978.9	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)NN(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2829.3	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #11	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)[Si](C)(C)C	2795.1	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #11	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)[Si](C)(C)C	2788.3	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #12	C[Si](C)(C)N(NC1=CC=C(C(=O)O)C=C1)C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3099.3	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #12	C[Si](C)(C)N(NC1=CC=C(C(=O)O)C=C1)C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2995.5	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #13	C[Si](C)(C)N(NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C1=CC=C(C(=O)O)C=C1	3112.1	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #13	C[Si](C)(C)N(NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C1=CC=C(C(=O)O)C=C1	2959.5	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2902.1	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2853.2	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC=C(N(NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1	2862.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC=C(N(NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1	2758.9	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #3	C[Si](C)(C)OC(=O)C1=CC=C(NN(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1	2847.2	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #3	C[Si](C)(C)OC(=O)C1=CC=C(NN(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1	2785.3	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #4	C[Si](C)(C)OC(=O)C1=CC=C(NNC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	3138.8	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #4	C[Si](C)(C)OC(=O)C1=CC=C(NNC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	2947.0	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=O)N(NC1=CC=C(C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O	2941.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=O)N(NC1=CC=C(C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O	2812.8	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)NN(C1=CC=C(C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O	2971.9	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)NN(C1=CC=C(C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O	2795.6	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #7	C[Si](C)(C)OC(=O)C1=CC=C(N(N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	2775.9	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #7	C[Si](C)(C)OC(=O)C1=CC=C(N(N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	2756.5	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)NNC1=CC=C(C(=O)O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	3140.3	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)NNC1=CC=C(C(=O)O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	2981.1	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC(=O)N(NC1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2957.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC(=O)N(NC1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2856.6	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C(NNC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	3107.2	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C(NNC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	2896.1	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2810.6	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2822.8	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #11	C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C	2990.8	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #11	C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C	2958.2	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N(NC1=CC=C(C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2880.2	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N(NC1=CC=C(C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2770.5	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)NN(C1=CC=C(C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2887.2	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)NN(C1=CC=C(C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2762.1	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C1=CC=C(N(N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	2735.8	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C1=CC=C(N(N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	2739.2	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C1=CC=C(N(NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	3030.7	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C1=CC=C(N(NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	2895.8	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #6	C[Si](C)(C)OC(=O)C1=CC=C(NN(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	3007.9	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #6	C[Si](C)(C)OC(=O)C1=CC=C(NN(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	2905.0	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2801.2	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2790.3	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N(NC1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3053.8	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N(NC1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2932.1	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)NN(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3061.9	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)NN(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2908.3	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C(N(NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	3023.6	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C(N(NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	2850.6	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC=C(NN(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	3022.6	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC=C(NN(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	2844.7	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2782.2	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2762.4	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TMS,isomer #4	C[Si](C)(C)OC(=O)C1=CC=C(N(N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	2932.6	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TMS,isomer #4	C[Si](C)(C)OC(=O)C1=CC=C(N(N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	2903.8	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2978.1	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2912.7	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C(N(N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	2989.0	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C(N(N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	2857.9	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(NNC(=O)CC[C@H](N)C(=O)O)C=C1	3314.0	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)NNC1=CC=C(C(=O)O)C=C1	3301.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)NNC1=CC=C(C(=O)O)C=C1)C(=O)O	3378.3	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(NC1=CC=C(C(=O)O)C=C1)C(=O)CC[C@H](N)C(=O)O	3281.1	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(NC(=O)CC[C@H](N)C(=O)O)C1=CC=C(C(=O)O)C=C1	3262.9	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(NNC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=C1	3578.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)NN(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	3585.2	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C	3392.8	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)NNC1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	3658.0	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(N(NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	3521.1	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(NN(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	3493.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)NNC1=CC=C(C(=O)O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	3631.3	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N(NC1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C	3488.2	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)NN(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C	3494.6	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)NNC1=CC=C(C(=O)O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C	3706.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(NC1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	3552.7	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)NNC1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	3805.9	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)NNC1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	3396.8	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)NN(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3716.9	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)NN(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3402.9	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3536.5	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3335.6	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(NC1=CC=C(C(=O)O)C=C1)C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3821.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(NC1=CC=C(C(=O)O)C=C1)C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3503.7	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)O)C=C1	3850.0	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)O)C=C1	3483.4	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3639.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3403.8	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(N(NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3608.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(N(NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3338.5	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(NN(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3614.2	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(NN(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3328.6	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(NNC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3948.8	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(NNC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3491.4	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(NC1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	3721.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(NC1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	3336.5	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)NN(C1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	3751.4	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)NN(C1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	3348.2	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(N(N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3555.7	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(N(N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3303.2	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)NNC1=CC=C(C(=O)O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3925.2	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)NNC1=CC=C(C(=O)O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3569.2	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(NC1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3683.7	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(NC1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3394.5	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(NNC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4076.7	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(NNC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3609.5	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3743.1	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3499.5	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C	3936.2	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C	3608.5	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(NC1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3785.0	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(NC1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3438.4	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)NN(C1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3803.5	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)NN(C1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3458.1	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(N(N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3659.0	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(N(N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3423.5	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(N(NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4003.5	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(N(NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3557.0	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(NN(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3983.7	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(NN(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3538.5	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3771.6	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3457.8	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N(NC1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3968.1	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N(NC1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3608.7	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)NN(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3991.3	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)NN(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3613.8	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(N(NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4122.0	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(N(NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3660.7	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(NN(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4116.0	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(NN(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3640.3	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3850.9	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N(N(C1=CC=C(C(=O)O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3559.1	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(N(N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4101.9	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(N(N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3660.0	Standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4099.3	Semi standard non polar	33892256
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N(N(C1=CC=C(C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3716.8	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine 10V, Positive-QTOF	splash10-02a9-0290000000-98a2364e94cc22455448	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine 20V, Positive-QTOF	splash10-00ll-2690000000-0c0746fd7898f826f1d4	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine 40V, Positive-QTOF	splash10-0a4i-7910000000-75a08845cb3dfb947f61	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine 10V, Negative-QTOF	splash10-001r-0390000000-e9931fa776308f629792	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine 20V, Negative-QTOF	splash10-117r-1960000000-58264dca708aec36a121	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine 40V, Negative-QTOF	splash10-0006-9500000000-b33ab44fc6236eb2f268	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine 10V, Positive-QTOF	splash10-02ai-0190000000-d3eeecb9e5456e365815	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine 20V, Positive-QTOF	splash10-02as-2490000000-673e43fbbee6398dc334	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine 40V, Positive-QTOF	splash10-053i-6900000000-b3b77e8a22d3db67122f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine 10V, Negative-QTOF	splash10-03di-0390000000-d2d2364345a82974575f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine 20V, Negative-QTOF	splash10-01ox-4930000000-c6b799a855d6dd69cb12	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine 40V, Negative-QTOF	splash10-0006-9400000000-76cde8465912c16bd776	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB020495

KNApSAcK ID

Not Available

Chemspider ID

4447472

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5284398

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine (HMDB0040693)

MOL for HMDB0040693 (N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine)

3D MOL for HMDB0040693 (N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine)

3D SDF for HMDB0040693 (N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine)

3D-SDF for HMDB0040693 (N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine)

PDB for HMDB0040693 (N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine)

3D PDB for HMDB0040693 (N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine)

SMILES for HMDB0040693 (N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine)

INCHI for HMDB0040693 (N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine)

Structure for HMDB0040693 (N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine)

3D Structure for HMDB0040693 (N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra